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1-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM935650 Image of MNXM935650
referenceslm:000628035
formulaC77H121NO9P
global charge-1
mol weight1235.787
InChIKeySAMIOVWUTLJPEG-LABXHICZSA-M
InChIInChI=1S/C77H122NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-42-44-47-50-53-56-59-62-65-68-76(80)84-72-74(87-77(81)69-66-63-60-57-54-51-48-45-41-32-29-26-23-20-17-14-11-8-5-2)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,33-34,36-37,41,45-46,49,51,54-55,58,60,63,74H,4-6,9,12-15,22-24,31-32,35,38-40,42-44,47-48,50,52-53,56-57,59,61-62,64-73H2,1-3H3,(H,78,79)(H,82,83)/p-1/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,34-33-,37-36-,45-41-,49-46-,54-51-,58-55-,63-60-/t74-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C77H122NO9P/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-42-44-47-50-53-56-59-62-65-68-76(80)84-72-74(87-77(81)69-66-63-60-57-54-51-48-45-41-32-29-26-23-20-17-14-11-8-5-2)73-86-88(82,83)85-71-70-78-75(79)67-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3/h7-8,10-11,16-21,25-30,33-34,36-37,41,45-46,49,51,54-55,58,60,63,74H,4-6,9,12-15,22-24,31-32,35,38-40,42-44,47-48,50,52-53,56-57,59,61-62,64-73H2,1-3H3,(H,78,79)(H,82,83)/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,34-33-,37-36-,45-41-,49-46-,54-51-,58-55-,63-60-/t74-/m1/s1 Image of MNXM935650
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][C:76](=[O:80])[O:84][CH2:72][C@H:74]([CH2:73][O:86][P:88]([OH:82])(=[O:83])[O:85][CH2:71][CH2:70][N:78]=[C:75]([CH2:67][CH2:64][CH2:61]/[CH:58]=[CH:55]\[CH2:52]/[CH:49]=[CH:46]\[CH2:43]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:79])[O:87][C:77]([CH2:69][CH2:66]/[CH:63]=[CH:60]\[CH2:57]/[CH:54]=[CH:51]\[CH2:48]/[CH:45]=[CH:41]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:81]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000628035
slm:000628035
SAMIOVWUTLJPEG-LABXHICZSA-M 		1-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-1-(15Z,18Z,21Z,24Z,27Z-triacontapentaenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (30:5(15Z,18Z,21Z,24Z,27Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))